1-(4-bromanyl-3-methyl-phenyl)-N-[3-(imidazol-1-ylmethyl)phenyl]-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)-N-[3-(imidazol-1-ylmethyl)phenyl]-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: 1-(4-bromo-3-methyl-phenyl)-N-[3-(imidazol-1-ylmethyl)phenyl]-5-oxo-pyrrolidine-3-carboxamide CAS Name: 1-(4-bromo-3-methylphenyl)-N-[3-(1-imidazolylmethyl)phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: 1-(4-bromo-3-methylphenyl)-N-[3-(imidazol-1-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide Traditional Name: 1-(4-bromo-3-methyl-phenyl)-N-[3-(imidazol-1-ylmethyl)phenyl]-5-keto-pyrrolidine-3-carboxamide Formula: C22H21BrN4O2 MolecularWeight: 453.33174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC(CC2=O)C(=O)NC3=CC=CC(=C3)CN4C=CN=C4)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC(CC2=O)C(=O)NC3=CC=CC(=C3)CN4C=CN=C4)Br

InChI

InChI=1S/C22H21BrN4O2/c1-15-9-19(5-6-20(15)23)27-13-17(11-21(27)28)22(29)25-18-4-2-3-16(10-18)12-26-8-7-24-14-26/h2-10,14,17H,11-13H2,1H3,(H,25,29)